SCHEMBL25856503

SCHEMBL25856503

c1ccc(C2(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c(ccc5ccccc35)O4)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25858621 0.95 PDK2 (0.32) MCL1ACMSDPDK2
SCHEMBL25857625 0.94 KDM4E (0.30) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25856399 0.94
SCHEMBL25851817 0.93 CHRNA1 (0.32) MCL1ACMSDCHRNA1CHRNGCHRNB1
SCHEMBL25852022 0.92 PDK2 (0.33) KIF11KDM4EMEN1LMNAMAPT
SCHEMBL25858158 0.92 MEN1 (0.35) KIF11KDM4EMEN1LMNAMAPT
SCHEMBL25852810 0.91 KDM4E (0.31) MCL1ACMSDKDM4EMEN1LMNA
SCHEMBL25857457 0.91 PDK2 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25865152 0.90 PDK2 (0.32) PDK2
SCHEMBL25866554 0.89 KDM4E (0.33) MCL1ACMSDCHRNA1CHRNGCHRNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed